HMDB0007445 RDKit 3D DG(20:3(5Z,8Z,11Z)/15:0/0:0) 111110 0 0 0 0 0 0 0 0999 V2000 8.2906 5.1699 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0743 4.2912 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 3.4998 0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7419 2.5826 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6407 1.5930 -0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2911 0.7426 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 -0.2147 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5048 -1.1487 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6857 -1.9661 -0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -3.2722 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4961 -4.1750 -0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3662 -4.9788 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3313 -5.0674 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -4.4723 1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 -3.5910 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1315 -2.3280 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 -1.7256 1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 -1.3560 2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 -0.4187 1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 -0.9379 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 -0.2013 -0.6584 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -2.3208 -0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9118 -2.9553 -1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5552 -2.9220 -1.3411 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9351 -3.7955 -2.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 -3.9540 -2.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -1.6674 -1.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1891 -1.2488 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 -2.0620 0.2526 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 0.0839 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3443 -0.0831 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0823 1.2118 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9635 2.0050 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 1.4031 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6966 0.9027 1.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8780 1.7719 1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4031 2.3796 0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8949 1.3409 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9871 0.4895 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2904 0.9974 0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2030 1.6136 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8790 2.8646 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6437 4.0468 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 6.2416 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 5.0350 -1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2872 4.9802 -1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8082 4.9044 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2293 3.6055 0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1255 4.2877 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1820 2.9818 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0434 3.1097 -1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6074 1.9746 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1195 0.8931 -1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7938 2.0368 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 1.4009 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2001 0.1756 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2724 0.3860 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9889 -0.8257 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5811 -1.6604 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7462 -0.4918 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6333 -1.4022 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6547 -3.7724 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6888 -3.5482 -1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -4.8385 -1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 -5.5925 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 -5.7594 2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3047 -5.4023 1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -4.0882 2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -3.9078 -1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 -1.7761 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 -2.1862 2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6132 -0.6923 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 -2.3034 2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -0.8933 3.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 -0.0995 2.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 0.5462 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 -2.4651 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 -3.9928 -1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 -3.4554 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 -3.4344 -3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 -4.7996 -2.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6699 -4.0947 -1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6344 0.6663 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4636 0.6182 -1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6778 -0.7205 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4615 -0.6709 -1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0565 1.1796 -1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4733 1.8428 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3543 3.0507 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8377 2.2258 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 2.2144 2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 0.6207 1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6171 0.4631 2.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9725 -0.0377 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6075 2.6568 2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7147 1.2985 2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6476 2.9864 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2313 3.0922 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1494 1.8493 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0384 0.6502 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1845 -0.2666 -0.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6093 -0.2360 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2115 1.6374 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8740 0.0997 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3923 0.8385 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2746 1.6625 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8008 3.1535 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0714 2.7830 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6245 4.4705 -0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8423 3.8040 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3340 4.8638 -0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 23 77 1 0 23 78 1 0 24 79 1 1 25 80 1 0 25 81 1 0 26 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 M END